input word = C00017570

Metabolite InformationStructural formula
Name 02-3G
Formula C53H78O24
Mw 1098.48830342
CAS RN 132243-20-0
C_ID C00017570 ,
InChIKey UZZCFUQRSLEKFX-UHFFFAOYNA-N
InChICode InChI=1S/C53H78O24/c1-19-30(73-35-15-31(43(58)21(3)68-35)74-34-14-29(55)49(66-9)24(6)71-34)13-27-11-26-12-28(50(67-10)48(63)42(57)20(2)54)51(47(62)40(26)46(61)39(27)41(19)56)77-37-17-32(44(59)23(5)70-37)75-36-16-33(45(60)22(4)69-36)76-38-18-53(8,65)52(64)25(7)72-38/h11,13,20-25,28-29,31-38,42-45,49-52,54-61,64-65H,12,14-18H2,1-10H3/t20-,21-,22-,23-,24+,25+,28+,29-,31-,32-,33-,34-,35+,36+,37+,38+,42-,43+,44-,45+,49-,50+,51+,52+,53+/m1/s1
SMILES [C@H]1([C@@H]([C@@H](C[C@@H](O1)Oc1c(c(c2c(c1)cc1c(c2O)C(=O)[C@H]([C@@H](C1)[C@H](OC)C(=O)[C@H](O)[C@H](O)C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)O[C@H]1C[C@H]([C@H]([C@H](O1)C)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)O)O)C)O[C@@H]1C[C@H]([C@@H]([C@@H](O1)C)OC)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces avellaneus 1999/2/3 Ref.
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